SCHEMBL6985171

SCHEMBL6985171

COc1cc(C(SC2CCCCC2)C(C)=O)c(OC)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
PPOX P50336 1/20 0.38
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TP53 P04637 2/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
STAT3 P40763 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
GRM4 Q14833 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6983688 0.74 TSHR (0.46) TSHRLMNAMAPTKDM4EHTT
SCHEMBL1565128 0.73 TAS1R3 (0.43) TSHRLMNAMAPTKMT2ASMN1; SMN2
SCHEMBL8140543 0.69 KDM4E (0.43) TSHRLMNAMAPTKDM4EHTT
SCHEMBL6703970 0.68 ACHE (0.43) TSHRLMNAMAPTKDM4EHTT
SCHEMBL6702783 0.68 HTR4 (0.47) TSHRLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL6985165 0.68 TSHR (0.44) TSHRLMNAMAPTKDM4EHTT
SCHEMBL6985850 0.67 TSHR (0.38) TSHRLMNAMAPTKDM4EHTT
SCHEMBL2651665 0.65 SLC6A3 (0.62) LMNA
SCHEMBL6699852 0.62 ACHE (0.47) TSHRLMNAMAPTKDM4EALDH1A1
SCHEMBL2481341 0.62 HTR4 (0.66) TSHRKMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed